Chemical Properties of Benzene, 1-(1-ethylpropyl)-3-(1-methylbutyl)- (CAS 100945-39-9)

InChI

InChI=1S/C16H26/c1-5-9-13(4)15-10-8-11-16(12-15)14(6-2)7-3/h8,10-14H,5-7,9H2,1-4H3

InChI Key

LJXJIICRXIAWQR-UHFFFAOYSA-N

Formula

C16H26

SMILES

CCCC(C)c1cccc(C(CC)CC)c1

Molecular Weight¹

218.38

CAS

100945-39-9

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[289.57; 724.29]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.46260e+01
Coefficient B			1.39728e+00
Coefficient C			-8.17160e-04
Coefficient D			1.78800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.57	J/mol×K	273.00	Calculated Property
Cp,gas	365.34	J/mol×K	353.78	Calculated Property
Cp,gas	432.93	J/mol×K	434.56	Calculated Property
Cp,gas	492.90	J/mol×K	515.33	Calculated Property
Cp,gas	545.81	J/mol×K	596.11	Calculated Property
Cp,gas	592.22	J/mol×K	676.89	Calculated Property
Cp,gas	632.72	J/mol×K	757.67	Calculated Property
Cp,gas	667.85	J/mol×K	838.44	Calculated Property
Cp,gas	698.19	J/mol×K	919.22	Calculated Property
Cp,gas	724.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046147; 0.0001625]	Pa×s	[279.02; 555.87]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20977e+01
Coefficient B			1.87480e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			279.02
Temperature range, max.			555.87
η	0.0046147	Pa×s	279.02	Calculated Property
η	0.0023680	Pa×s	309.78	Calculated Property
η	0.0013707	Pa×s	340.54	Calculated Property
η	0.0008687	Pa×s	371.30	Calculated Property
η	0.0005903	Pa×s	402.06	Calculated Property
η	0.0004238	Pa×s	432.82	Calculated Property
η	0.0003180	Pa×s	463.59	Calculated Property
η	0.0002472	Pa×s	494.35	Calculated Property
η	0.0001980	Pa×s	525.11	Calculated Property
η	0.0001625	Pa×s	555.87	Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-(1-ethylpropyl)-3-(1-methylbutyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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